Issue with Mg cell optimization

[fquesada]

Dear CP2K users,

I am working on a model of magnesium and I am interested in relaxing the 
cell parameters of the unit cell. I wrote a code to perform the cell 
optimization, but I am having the following issues with it:

1) the energy values are not converging properly during the optimization 
procedure, and

2) the sum of forces on the atoms is never reaches zero.

 

I have tried modifying different parameters in my code (such as the CUTOFF, 
REL_CUTOFF, KPOINTS, EPS_SCF, ADDED_MOS, and even a different unit cell), 
but the problems still persist. I attached the code below for reference. I 
am clueless as to why these issues persist and I would really appreciate 
any help on the matter.

Thank you in advance for the response.

Cheers,

Felipe
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